Cas no 87233-61-2 (Emedastine)

Emedastine structure

Product Name:Emedastine

CAS No:87233-61-2

MF:C₁₇H₂₆N₄O

MW:302.414543628693

MDL:MFCD00865647

CID:61061

PubChem ID:3219

Update Time:2024-10-26

Emedastine Chemical and Physical Properties

Names and Identifiers

- Emedastine
- 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
- 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzo[d]imidazole
- 1-[2-(ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole
- 1-methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane
- Emadine
- Emedastina
- Emedastina [INN-Spanish]
- Emedastine [INN]
- Emedastinum
- Emedastinum [INN-Latin]
- UNII-9J1H7Y9OJV
- 1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1H-benzimidazole (ACI)
- 1H-1,4-Diazepine, 1H-benzimidazole deriv. (ZCI)
- C07785
- CHEBI:4779
- 1-Methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazo)-2-yl)(1,4)diazepane
- SCHEMBL29770
- 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-
- Emadine (TN)
- GTPL7174
- BS-17691
- NS00008992
- BRD-K15010214-364-01-9
- BDBM50019624
- BRD-K15010214-364-02-7
- EMEDASTINE [VANDF]
- 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-1,3-benzodiazole
- 87233-61-2
- L001093
- 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
- Q5370305
- BRD-K15010214-313-01-6
- NCGC00181341-01
- EMEDASTINE [EMA EPAR]
- HY-108411
- DA-73082
- D81889
- s5659
- Emedastine?
- BCP20085
- AC-35544
- CHEMBL594
- MFCD00865647
- CS-0028590
- HMS3886O14
- C17H26N4O
- EN300-22848873
- 1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole
- DB01084
- 1-(2-ethoxyethyl)-2-(4-methyl-1-homopiperazinyl) benzimidazole
- DTXSID7048243
- AKOS037515523
- EMEDASTINE [MI]
- CCG-267493
- 9J1H7Y9OJV
- Emedastine (INN)
- 1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazole
- EX-A1371
- D07890
- Emedastine [INN:BAN]
- EMEDASTINE [WHO-DD]
- MDL： MFCD00865647
- Inchi： 1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3
- InChI Key： KBUZBQVCBVDWKX-UHFFFAOYSA-N
- SMILES： N1=C(N2CCCN(C)CC2)N(CCOCC)C2C1=CC=CC=2

Computed Properties

Exact Mass: 302.21100
Monoisotopic Mass: 302.210661
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 22
Rotatable Bond Count: 5
Complexity: 341
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 33.5
XLogP3: 2.2

Experimental Properties

Density: 1.15
Melting Point: 148-151oC
Boiling Point: 446.6 °C at 760 mmHg
Flash Point: 223.9 °C
Refractive Index: 1.594
PSA: 33.53000
LogP: 2.21760

Emedastine Customs Data

HS CODE：2933990090
Customs Data：

China Customs Code:
2933990090

Overview:

2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

Declaration elements:

Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Emedastine Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI TAO SHU Biotechnology Co., Ltd.	T3979-2 mg	Emedastine	87233-61-2	97.68%	2mg	￥1769.00	2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.	T3979-5 mg	Emedastine	87233-61-2	97.68%	5mg	￥3185.00	2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.	T3979-10 mg	Emedastine	87233-61-2	97.68%	10mg	￥4985.00	2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.	T3979-25 mg	Emedastine	87233-61-2	97.68%	25mg	￥8633.00	2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.	T3979-50 mg	Emedastine	87233-61-2	97.68%	50mg	￥14885.00	2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.	T3979-100 mg	Emedastine	87233-61-2	97.68%	100MG	￥20285.00	2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.	T3979-1 mL * 10 mM (in DMSO)	Emedastine	87233-61-2	97.68%	1 mL * 10 mM (in DMSO)	￥3500.00	2022-04-26
ChemScence	CS-0028590-5mg	Emedastine	87233-61-2	≥98.0%	5mg	$350.0	2022-04-26
ChemScence	CS-0028590-10mg	Emedastine	87233-61-2	≥98.0%	10mg	$550.0	2022-04-26
ChemScence	CS-0028590-50mg	Emedastine	87233-61-2	≥98.0%	50mg	$1650.0	2022-04-26

Emedastine Production Method

Production Method 1

101954-20-5

87233-61-2

Reaction Conditions

1.1 Reagents: Formic acid Solvents: Water ; 30 min, 80 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ; pH 10

Reference

Copper-catalysed C-H functionalisation gives access to 2-aminobenzimidazoles

Clark, Peter R.; et al, Organic & Biomolecular Chemistry, 2019, 17(34), 7943-7955

Production Method 2

4318-37-0

87233-54-3

87233-61-2

110-17-8

Reaction Conditions

Reference

Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents

Iemura, Ryuichi; et al, Journal of Medicinal Chemistry, 1986, 29(7), 1178-83

Production Method 3

110-76-9

87233-61-2

110-17-8

Reaction Conditions

1.1 -
2.1 Reagents: Sodium hydroxide , Zinc Solvents: Ethanol , Water
3.1 -
4.1 Reagents: Phosphorus oxychloride
5.1 -

Reference

Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents

Iemura, Ryuichi; et al, Journal of Medicinal Chemistry, 1986, 29(7), 1178-83

Production Method 4

2375311-04-7

87233-61-2

Reaction Conditions

1.1 Reagents: Hydrochloric acid Solvents: Ethyl acetate ; 64 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water
1.3 Reagents: Formic acid Solvents: Water ; 30 min, 80 °C
1.4 Reagents: Sodium hydroxide Solvents: Water ; pH 10

Reference

Copper-catalysed C-H functionalisation gives access to 2-aminobenzimidazoles

Clark, Peter R.; et al, Organic & Biomolecular Chemistry, 2019, 17(34), 7943-7955

Production Method 5

2126918-57-6

6069-06-3

87233-61-2

Reaction Conditions

1.1 Reagents: Sodium hydride Solvents: Dimethyl sulfoxide ; rt; 15 min, rt
1.2 Solvents: Dimethyl sulfoxide ; 24 h, rt; 60 min, rt
1.3 Reagents: Water
1.4 Reagents: Pivalic acid Catalysts: Copper bis(ethyl acetylacetate) Solvents: Sulfolane ; 30 h, 1 atm, rt → 100 °C
1.5 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 15 min, rt; 15 min, rt
1.6 Solvents: Tetrahydrofuran ; 18 h, rt → reflux; 60 min, reflux; reflux → rt
1.7 Reagents: Water
1.8 Reagents: Hydrochloric acid Solvents: Ethyl acetate ; 64 h, rt
1.9 Reagents: Sodium bicarbonate Solvents: Water
1.10 Reagents: Formic acid Solvents: Water ; 30 min, 80 °C
1.11 Reagents: Sodium hydroxide Solvents: Water ; pH 10

Reference

Copper-catalysed C-H functionalisation gives access to 2-aminobenzimidazoles

Clark, Peter R.; et al, Organic & Biomolecular Chemistry, 2019, 17(34), 7943-7955

Production Method 6

112275-50-0

87233-61-2

Reaction Conditions

1.1 Reagents: Diisopropylethylamine Solvents: Chloroform ; 0 °C → rt; 4 h, rt
1.2 Reagents: Sodium hydroxide Solvents: Water
2.1 Reagents: Sodium hydride Solvents: Dimethyl sulfoxide ; rt; 15 min, rt
2.2 Solvents: Dimethyl sulfoxide ; 24 h, rt; 60 min, rt
2.3 Reagents: Water
2.4 Reagents: Pivalic acid Catalysts: Copper bis(ethyl acetylacetate) Solvents: Sulfolane ; 30 h, 1 atm, rt → 100 °C
2.5 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 15 min, rt; 15 min, rt
2.6 Solvents: Tetrahydrofuran ; 18 h, rt → reflux; 60 min, reflux; reflux → rt
2.7 Reagents: Water
2.8 Reagents: Hydrochloric acid Solvents: Ethyl acetate ; 64 h, rt
2.9 Reagents: Sodium bicarbonate Solvents: Water
2.10 Reagents: Formic acid Solvents: Water ; 30 min, 80 °C
2.11 Reagents: Sodium hydroxide Solvents: Water ; pH 10

Reference

Copper-catalysed C-H functionalisation gives access to 2-aminobenzimidazoles

Clark, Peter R.; et al, Organic & Biomolecular Chemistry, 2019, 17(34), 7943-7955

Production Method 7

192940-60-6

6069-06-3

87233-61-2

Reaction Conditions

1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 15 min, rt; 15 min, rt
1.2 Solvents: Tetrahydrofuran ; 18 h, rt → reflux; 60 min, reflux; reflux → rt
1.3 Reagents: Water
2.1 Reagents: Hydrochloric acid Solvents: Ethyl acetate ; 64 h, rt
2.2 Reagents: Sodium bicarbonate Solvents: Water
2.3 Reagents: Formic acid Solvents: Water ; 30 min, 80 °C
2.4 Reagents: Sodium hydroxide Solvents: Water ; pH 10

Reference

Copper-catalysed C-H functionalisation gives access to 2-aminobenzimidazoles

Clark, Peter R.; et al, Organic & Biomolecular Chemistry, 2019, 17(34), 7943-7955

Production Method 8

2375311-04-7

87233-61-2

Reaction Conditions

1.1 Reagents: Hydrochloric acid Solvents: Ethyl acetate ; 64 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water
2.1 Reagents: Formic acid Solvents: Water ; 30 min, 80 °C
2.2 Reagents: Sodium hydroxide Solvents: Water ; pH 10

Reference

Copper-catalysed C-H functionalisation gives access to 2-aminobenzimidazoles

Clark, Peter R.; et al, Organic & Biomolecular Chemistry, 2019, 17(34), 7943-7955

Production Method 9

2375311-03-6

87233-61-2

Reaction Conditions

1.1 Reagents: Pivalic acid Catalysts: Copper bis(ethyl acetylacetate) Solvents: Sulfolane ; 30 h, 1 atm, rt → 100 °C
2.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 15 min, rt; 15 min, rt
2.2 Solvents: Tetrahydrofuran ; 18 h, rt → reflux; 60 min, reflux; reflux → rt
2.3 Reagents: Water
3.1 Reagents: Hydrochloric acid Solvents: Ethyl acetate ; 64 h, rt
3.2 Reagents: Sodium bicarbonate Solvents: Water
3.3 Reagents: Formic acid Solvents: Water ; 30 min, 80 °C
3.4 Reagents: Sodium hydroxide Solvents: Water ; pH 10

Reference

Copper-catalysed C-H functionalisation gives access to 2-aminobenzimidazoles

Clark, Peter R.; et al, Organic & Biomolecular Chemistry, 2019, 17(34), 7943-7955

Production Method 10

2126918-57-6

87233-61-2

Reaction Conditions

1.1 Reagents: Sodium hydride Solvents: Dimethyl sulfoxide ; rt; 15 min, rt
1.2 Solvents: Dimethyl sulfoxide ; 24 h, rt; 60 min, rt
1.3 Reagents: Water
2.1 Reagents: Pivalic acid Catalysts: Copper bis(ethyl acetylacetate) Solvents: Sulfolane ; 30 h, 1 atm, rt → 100 °C
3.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 15 min, rt; 15 min, rt
3.2 Solvents: Tetrahydrofuran ; 18 h, rt → reflux; 60 min, reflux; reflux → rt
3.3 Reagents: Water
4.1 Reagents: Hydrochloric acid Solvents: Ethyl acetate ; 64 h, rt
4.2 Reagents: Sodium bicarbonate Solvents: Water
4.3 Reagents: Formic acid Solvents: Water ; 30 min, 80 °C
4.4 Reagents: Sodium hydroxide Solvents: Water ; pH 10

Reference

Copper-catalysed C-H functionalisation gives access to 2-aminobenzimidazoles

Clark, Peter R.; et al, Organic & Biomolecular Chemistry, 2019, 17(34), 7943-7955

Production Method 11

101953-61-1

87233-61-2

110-17-8

Reaction Conditions

1.1 Reagents: Phosphorus oxychloride
2.1 -

Reference

Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents

Iemura, Ryuichi; et al, Journal of Medicinal Chemistry, 1986, 29(7), 1178-83

Production Method 12

57-13-6

95893-89-3

87233-61-2

110-17-8

Reaction Conditions

1.1 -
2.1 Reagents: Phosphorus oxychloride
3.1 -

Reference

Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents

Iemura, Ryuichi; et al, Journal of Medicinal Chemistry, 1986, 29(7), 1178-83

Production Method 13

95893-88-2

87233-61-2

110-17-8

Reaction Conditions

1.1 Reagents: Sodium hydroxide , Zinc Solvents: Ethanol , Water
2.1 -
3.1 Reagents: Phosphorus oxychloride
4.1 -

Reference

Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents

Iemura, Ryuichi; et al, Journal of Medicinal Chemistry, 1986, 29(7), 1178-83

Emedastine Raw materials

Emedastine Preparation Products

Emedastine Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:87233-61-2)Emedastine

Order Number:A1039978

Stock Status:in Stock

Quantity:100mg/250mg/1g

Purity:99%

Pricing Information Last Updated:Thursday, 29 August 2024 17:07

Price ($):178.0/338.0/910.0

Email:[email protected]

Product Official Link

Tiancheng Chemical (Jiangsu) Co., Ltd

Gold Member

Audited Supplier

(CAS:87233-61-2)Emedastine

Order Number:LE16005

Stock Status:in Stock

Quantity:25KG,200KG,1000KG

Purity:99%

Pricing Information Last Updated:Friday, 20 June 2025 12:13

Price ($):discuss personally

Email:[email protected]

Emedastine Related Literature

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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?

Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
3. An automatic determination of thoria in thoria-urania mixtures

Analyst, 1966,91, 208-210
4. Acenaphthenic hopanoids, a novel series of aromatised

Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
5. An insight into the origin of room-temperature ferromagnetism in SnO2 and Mn-doped SnO2 quantum dots: an experimental and DFT approach?

Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514

Related Categories

87233-61-2 (Emedastine) Related Products

Recommended suppliers

Amadis Chemical Company Limited

(CAS:87233-61-2)Emedastine

Purity:99%/99%/99%

Quantity:100mg/250mg/1g

Price ($):178.0/338.0/910.0

Tiancheng Chemical (Jiangsu) Co., Ltd

(CAS:87233-61-2)Emedastine

Purity:99%

Quantity:25KG,200KG,1000KG

Price ($):Inquiry

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Cas no 87233-61-2 (Emedastine)

Emedastine Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

Emedastine Customs Data

China Customs Code:

Overview:

Declaration elements:

Summary:

Emedastine Pricemore >>

Emedastine Production Method

Production Method 1

Production Method 2

Production Method 3

Production Method 4

Production Method 5

Production Method 6

Production Method 7

Production Method 8

Production Method 9

Production Method 10

Production Method 11

Production Method 12

Production Method 13

Emedastine Raw materials

Emedastine Preparation Products

Emedastine Suppliers

Emedastine Related Literature

Related Categories

87233-61-2 (Emedastine) Related Products